1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one

C17H20FN3O3 — CID 171132610

IUPAC1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCN(C(=O)CN2C(=O)CCc3cccc(F)c32)CC1
InChIInChI=1S/C17H20FN3O3/c1-12(22)19-7-9-20(10-8-19)16(24)11-21-15(23)6-5-13-3-2-4-14(18)17(13)21/h2-4H,5-11H2,1H3
InChIKeyOXEWODDNIAECQC-UHFFFAOYSA-N
MW333.36 g/mol
LogP0.80
Rot. Bonds2

About 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one

1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one (PubChem CID 171132610) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one
PubChem CID171132610
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one
SMILESCC(=O)N1CCN(C(=O)CN2C(=O)CCc3cccc(F)c32)CC1
InChIInChI=1S/C17H20FN3O3/c1-12(22)19-7-9-20(10-8-19)16(24)11-21-15(23)6-5-13-3-2-4-14(18)17(13)21/h2-4H,5-11H2,1H3
InChIKeyOXEWODDNIAECQC-UHFFFAOYSA-N
XLogP0.80
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 126420480
N-benzyl-2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 171132612
2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 171133276
2-(8-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 126421605
6-bromo-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22576637
2-(8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)acetic acid
CID 83757667
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-[2-[4-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55950598
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
1-[2-[4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55833891
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
3-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-3-oxopropanamide
CID 108945020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one (CID 171132610) is 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one is CC(=O)N1CCN(C(=O)CN2C(=O)CCc3cccc(F)c32)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one?
The InChIKey is OXEWODDNIAECQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-12(22)19-7-9-20(10-8-19)16(24)11-21-15(23)6-5-13-3-2-4-14(18)17(13)21/h2-4H,5-11H2,1H3.
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one?
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one has a molecular weight of 333.36 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-fluoro-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 171132610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).